1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine

C12H13Cl2N3 — CID 115580385

IUPAC1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H13Cl2N3/c1-17-3-2-16-12(17)7-11(15)8-4-9(13)6-10(14)5-8/h2-6,11H,7,15H2,1H3
InChIKeyQZPGMBPTTGWFMT-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.97
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine

1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 115580385) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID115580385
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H13Cl2N3/c1-17-3-2-16-12(17)7-11(15)8-4-9(13)6-10(14)5-8/h2-6,11H,7,15H2,1H3
InChIKeyQZPGMBPTTGWFMT-UHFFFAOYSA-N
XLogP2.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011597
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 107994332
2-(1-methylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755605
1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580384
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 171986196
1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580367
2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 112727320
1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105011417
2-(1-methylimidazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 79760474
1-(3-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 79761475
2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105011303

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine (CID 115580385) is 1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1CC(N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is QZPGMBPTTGWFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-17-3-2-16-12(17)7-11(15)8-4-9(13)6-10(14)5-8/h2-6,11H,7,15H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine?
1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 270.16 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 115580385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).